tert-butyl 3-cyano-5-(2-oxidanylidenepropyl)indole-1-carboxylate

Systemtic Name: tert-butyl 3-cyano-5-(2-oxidanylidenepropyl)indole-1-carboxylate Openeye Name: tert-butyl 5-acetonyl-3-cyano-indole-1-carboxylate CAS Name: 3-cyano-5-(2-oxopropyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyano-5-(2-oxopropyl)indole-1-carboxylate Traditional Name: 5-acetonyl-3-cyano-indole-1-carboxylic acid tert-butyl ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC2=C(C=C1)N(C=C2C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)CC1=CC2=C(C=C1)N(C=C2C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H18N2O3/c1-11(20)7-12-5-6-15-14(8-12)13(9-18)10-19(15)16(21)22-17(2,3)4/h5-6,8,10H,7H2,1-4H3